Effects of solute–solute avoidance on metallic glass formation

An ideal cluster-distribution configuration is proposed for transition metal–metalloid metallic glasses with high glass-forming ability, in which full solute–solute avoidance and multispecies clusters increase the stability of alloy systems. The liquid structure of four typical Fe-based glass former alloys were investigated by ab initio molecular dynamics simulations, and the simulation results and experimental phenomena confirmed the validity of the proposed configuration.